Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.63 |
| ▸ | TP53 | P04637 | 2/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.62 |
| ▸ | LMNA | P02545 | 4/20 | 0.58 |
| ▸ | STAT6 | P42226 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | TSHR | P16473 | 5/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.56 |
| ▸ | HPGD | P15428 | 3/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | MTHFD2 | P13995 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL18989627 | 0.89 | SMN1; SMN2 (0.66) | MAPTTP53SMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL18989729 | 0.87 | SMN1; SMN2 (0.60) | MAPTTP53SMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL18990448 | 0.87 | SMN1; SMN2 (0.57) | MAPTTP53SMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL18989807 | 0.85 | SMN1; SMN2 (0.58) | MAPTTP53SMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL16076170 | 0.84 | TSHR (0.70) | MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL18989851 | 0.84 | SMN1; SMN2 (0.68) | MAPTTP53SMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL19013920 | 0.84 | SMN1; SMN2 (0.56) | MAPTTP53SMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL18989870 | 0.81 | SMN1; SMN2 (0.54) | MAPTTP53SMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL18990106 | 0.80 | MAPT (0.74) | MAPTTP53SMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL18990402 | 0.80 | SMN1; SMN2 (0.66) | MAPTTP53SMN1; SMN2CYP1A2CYP3A4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017106352-A1 | CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF | RAZE THERAPEUTICS, INC. (US) | 2017-06-22 | — | — | WO | disclosed |